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We perform a theoretical study of the magnetism induced in transition metaldioxides ZrO2 and TiO2 by substitution of the cation by a vacancy or animpurity from the groups 1A or 2A of the periodic table, where the impurity iseither K or Ca. In the present study both supercell and embedded clustermethods are used. It is demonstrated that the vacancy and the K-impurity leadsto a robust induced magnetic moment on the surrounding O-atoms for both thecubic ZrO2 and rutile TiO2 host crystals. On the other hand it is shown thatCa-impurity leads to a non magnetic state. The native O-vacancy does not inducea magnetic moment in the host dioxide crystal.

Magnetism without magnetic impurities in oxides ZrO2 and TiO2